N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1H-indole-4-carboxamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1H-indole-4-carboxamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1H-indole-4-carboxamide
Compound characteristics
| Compound ID: | P618-0471 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-1H-indole-4-carboxamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C24 H20 N4 O2 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3cccc4c3cc[nH]4)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8124 |
| logD: | 3.8124 |
| logSw: | -3.9504 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.644 |
| InChI Key: | VFRTVPVEUSZDRJ-UHFFFAOYSA-N |